REMARK Name = BDB032106 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.702 2.884 -2.022 0.00 0.00 +0.012 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.579 1.880 -3.172 0.00 0.00 +0.077 C BRANCH 2 8 ATOM 3 N LIG 1 -1.567 -0.347 -3.731 0.00 0.00 -0.280 N ATOM 4 C LIG 1 -2.797 -0.949 -3.619 0.00 0.00 +0.347 A ATOM 5 O LIG 1 -3.067 -2.119 -3.838 0.00 0.00 -0.245 OA ATOM 6 N LIG 1 -3.653 0.049 -3.157 0.00 0.00 -0.209 N ATOM 7 N LIG 1 -2.944 1.208 -2.923 0.00 0.00 -0.153 NA ATOM 8 C LIG 1 -1.725 0.908 -3.265 0.00 0.00 +0.134 A BRANCH 3 10 ATOM 9 C LIG 1 -0.040 -0.717 -5.617 0.00 0.00 +0.027 C ATOM 10 C LIG 1 -0.373 -1.043 -4.171 0.00 0.00 +0.125 C ENDBRANCH 3 10 BRANCH 6 11 ATOM 11 C LIG 1 -4.942 -0.204 -2.551 0.00 0.00 +0.184 C BRANCH 11 12 ATOM 12 C LIG 1 -4.807 -0.514 -1.077 0.00 0.00 -0.026 A ATOM 13 C LIG 1 -4.572 -1.820 -0.639 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -4.386 -2.095 0.722 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.412 -1.074 1.686 0.00 0.00 -0.042 A ATOM 16 C LIG 1 -4.644 0.236 1.227 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -4.839 0.513 -0.131 0.00 0.00 +0.006 A BRANCH 15 18 ATOM 18 C LIG 1 -4.184 -1.337 3.187 0.00 0.00 -0.013 C ATOM 19 C LIG 1 -3.944 -2.826 3.533 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -2.939 -0.557 3.668 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -5.419 -0.876 3.993 0.00 0.00 +0.015 C ENDBRANCH 15 18 ENDBRANCH 11 12 ENDBRANCH 6 11 ENDBRANCH 2 8 ENDBRANCH 1 2 BRANCH 1 22 ATOM 22 C LIG 1 -0.940 2.281 -0.628 0.00 0.00 +0.035 C BRANCH 22 23 ATOM 23 C LIG 1 -0.028 1.133 -0.276 0.00 0.00 -0.047 A ATOM 24 C LIG 1 1.345 1.339 -0.074 0.00 0.00 +0.012 A ATOM 25 C LIG 1 2.215 0.272 0.220 0.00 0.00 -0.018 A ATOM 26 C LIG 1 1.664 -1.018 0.310 0.00 0.00 +0.008 A ATOM 27 C LIG 1 0.296 -1.234 0.128 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -0.545 -0.163 -0.159 0.00 0.00 +0.003 A BRANCH 25 29 ATOM 29 C LIG 1 3.660 0.500 0.421 0.00 0.00 -0.014 A ATOM 30 C LIG 1 4.342 -0.067 1.516 0.00 0.00 +0.054 A ATOM 31 C LIG 1 5.714 0.141 1.714 0.00 0.00 +0.124 A ATOM 32 C LIG 1 6.439 0.917 0.793 0.00 0.00 +0.005 A ATOM 33 C LIG 1 5.765 1.501 -0.290 0.00 0.00 +0.008 A ATOM 34 C LIG 1 4.397 1.293 -0.472 0.00 0.00 +0.009 A BRANCH 31 35 ATOM 35 O LIG 1 6.438 -0.373 2.764 0.00 0.00 -0.495 OA ATOM 36 C LIG 1 5.685 -0.939 3.841 0.00 0.00 +0.277 C ENDBRANCH 31 35 BRANCH 32 37 ATOM 37 C LIG 1 7.923 1.152 0.945 0.00 0.00 +0.159 C BRANCH 37 38 ATOM 38 C LIG 1 8.261 2.170 2.008 0.00 0.00 +0.309 C ATOM 39 O LIG 1 8.594 3.322 1.770 0.00 0.00 -0.251 OA BRANCH 38 40 ATOM 40 O LIG 1 8.175 1.688 3.271 0.00 0.00 -0.480 OA ATOM 41 H LIG 1 7.779 0.791 3.283 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 32 37 ENDBRANCH 25 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 13